Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
Background: Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 differe...
Elke Michalsky, Mathias Dunkel, Andrean Goede, Rob...
Background: Protein structure prediction and computational protein design require efficient yet sufficiently accurate descriptions of aqueous solvent. We continue to evaluate the ...
Marcel Schmidt am Busch, Anne Lopes, Najette Amara...
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and regulation. In this work, we applied a three-stage knowledg...
Haiyun Lu, Shamima Banu Bte Sm Rashid, Hao Li, Wee...
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling. We present a knowledge-guided approach for docking protein dom...
Haiyun Lu, Hao Li, Shamima Banu Bte Sm Rashid, Wee...